Hispidol B 25-Me Ether

Hispidol B 25-Me Ether

Common Name: Hispidol B 25-Me Ether

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H54O4/c1-19(18-23(32)26(34)28(4,5)35-9)20-12-16-31(8)22-10-11-24-27(2,3)25(33)14-15-29(24,6)21(22)13-17-30(20,31)7/h10,19-21,23-26,32-34H,11-18H2,1-9H3/t19-,20-,21-,23+,24-,25-,26+,29+,30-,31+/m0/s1

InChIKey: InChIKey=WGBAIFKOFXMHLP-VGXBICQISA-N

Formula: C31H54O4

Molecular Weight: 490.759233

Exact Mass: 490.40221

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Xu, G.H., Kim, J.A., Kim, S.Y., Ryu, J.C., Kim, Y.S., Jung, S.H., Kim, M.K., Lee, S.H. Chem Pharm Bull (2008) 56, 839-42

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH2) 37.62
2 (CH2) 28.62
3 (CH) 78.32
4 (C) 39.57
5 (CH) 51.15
6 (CH2) 24.43
7 (CH) 118.4
8 (C) 146.1
9 (CH) 49.31
10 (C) 35.22
11 (CH2) 18.43
12 (CH2) 34.37
13 (C) 43.76
14 (C) 51.46
15 (CH2) 34.19
16 (CH2) 28.81
17 (CH) 54.28
18 (CH3) 22.11
19 (CH3) 13.45
20 (CH) 34.53
21 (CH3) 19.62
22 (CH2) 42.95
23 (CH) 68.13
24 (CH) 76.73
25 (C) 78.75
26 (CH3) 22.58
27 (CH3) 20.82
28 (CH3) 28.32
29 (CH3) 15.58
30 (CH3) 27.47
25a (CH3) 49.26